| SpectraBase Spectrum ID |
E2rQVpRLspT |
| Name |
4-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-7-(4-methylphenyl)sulfonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoic acid methyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H26N4O6S |
| InChI |
InChI=1S/C28H26N4O6S/c1-17-6-14-21(15-7-17)39(36,37)32-20(13-10-18-8-11-19(12-9-18)25(34)38-5)16-22-23(32)29-27(30-24(22)33)31-26(35)28(2,3)4/h6-9,11-12,14-16H,1-5H3,(H2,29,30,31,33,35) |
| InChIKey |
KLOFWHUMTODDHA-UHFFFAOYSA-N |
| Molecular Weight |
546.598 g/mol |
| SMILES |
N1C(c2cc([n](c2N=C1NC(C(C)(C)C)=O)S(c1ccc(cc1)C)(=O)=O)C#Cc1ccc(C(=O)OC)cc1)=O |
| SPLASH |
splash10-052g-3019070000-79c1199845bf8b739fe5 |
| Source of Spectrum |
J-61-1264-18 |
| Synonyms |
4-[2-[4-keto-2-(pivaloylamino)-7-tosyl-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoic acid methyl ester
Methyl 4-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-7-(p-tolylsulfonyl)-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoate
Methyl 4-[2-[2-(2,2-dimethylpropanoylamino)-7-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoate
Methyl 4-[2-[2-(2,2-dimethylpropanoylamino)-7-(4-methylphenyl)sulfonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoate |
| Wiley ID |
1405232 |
![4-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-7-(4-methylphenyl)sulfonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoic acid methyl ester](/api/spectrum/E2rQVpRLspT/structure.png?h=300&w=458 "4-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-7-(4-methylphenyl)sulfonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-6-yl]ethynyl]benzoic acid methyl ester")
